N,N-diethyl-4-morpholin-4-ylsulfonylbenzenesulfonamide

C14H22N2O5S2 — CID 631492

IUPACN,N-diethyl-4-morpholin-4-ylsulfonylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C14H22N2O5S2/c1-3-15(4-2)22(17,18)13-5-7-14(8-6-13)23(19,20)16-9-11-21-12-10-16/h5-8H,3-4,9-12H2,1-2H3
InChIKeyGPJHIQXIBVLWRL-UHFFFAOYSA-N
MW362.47 g/mol
LogP0.74
Rot. Bonds6

About N,N-diethyl-4-morpholin-4-ylsulfonylbenzenesulfonamide

N,N-diethyl-4-morpholin-4-ylsulfonylbenzenesulfonamide (PubChem CID 631492) has the molecular formula C14H22N2O5S2 and a molecular weight of 362.47 g/mol. Its IUPAC name is N,N-diethyl-4-morpholin-4-ylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-morpholin-4-ylsulfonylbenzenesulfonamide
PubChem CID631492
Molecular FormulaC14H22N2O5S2
Molecular Weight362.47 g/mol
Exact Mass362.10
IUPAC NameN,N-diethyl-4-morpholin-4-ylsulfonylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C14H22N2O5S2/c1-3-15(4-2)22(17,18)13-5-7-14(8-6-13)23(19,20)16-9-11-21-12-10-16/h5-8H,3-4,9-12H2,1-2H3
InChIKeyGPJHIQXIBVLWRL-UHFFFAOYSA-N
XLogP0.74
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-ethyl-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 1167021
N,N-bis(but-2-ynyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 646302
2-[4-(diethylsulfamoyl)phenoxy]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide
CID 28562560
N-[4-(diethylsulfamoyl)phenyl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide
CID 43900101
4,10-bis-(4-methylphenyl)sulfonyl-1,7-dioxa-4,10-diazacyclododecane
CID 1101145
4-(diethylsulfamoyl)-1-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyrrole-2-carboxamide
CID 16574135
4-(benzenesulfonyl)morpholine;ethane
CID 143200179
4-(4-methylsulfanylphenyl)sulfonylmorpholine
CID 967774
N-ethyl-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]butan-1-amine
CID 55569720
4-(4-hexylphenyl)sulfonylmorpholine
CID 84557725
N,N-diethyl-4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]sulfonylbenzenesulfonamide
CID 24525790
N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 832676

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-morpholin-4-ylsulfonylbenzenesulfonamide?
The IUPAC name of N,N-diethyl-4-morpholin-4-ylsulfonylbenzenesulfonamide (CID 631492) is N,N-diethyl-4-morpholin-4-ylsulfonylbenzenesulfonamide.
What is the SMILES notation for N,N-diethyl-4-morpholin-4-ylsulfonylbenzenesulfonamide?
The canonical SMILES for N,N-diethyl-4-morpholin-4-ylsulfonylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N,N-diethyl-4-morpholin-4-ylsulfonylbenzenesulfonamide?
The InChIKey is GPJHIQXIBVLWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5S2/c1-3-15(4-2)22(17,18)13-5-7-14(8-6-13)23(19,20)16-9-11-21-12-10-16/h5-8H,3-4,9-12H2,1-2H3.
What are the key properties of N,N-diethyl-4-morpholin-4-ylsulfonylbenzenesulfonamide?
N,N-diethyl-4-morpholin-4-ylsulfonylbenzenesulfonamide has a molecular weight of 362.47 g/mol, XLogP of 0.74, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-morpholin-4-ylsulfonylbenzenesulfonamide is sourced from PubChem (CID 631492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).